CID 9022

Amyltrimethylammonium bromide

Structural Information

Molecular Formula
C8H20N
SMILES
CCCCC[N+](C)(C)C
InChI
InChI=1S/C8H20N/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3/q+1
InChIKey
ACZOGADOAZWANS-UHFFFAOYSA-N
Compound name
trimethyl(pentyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1124
Patents

130.15958 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.16686 128.1
[M+Na]+ 153.14880 134.7
[M-H]- 129.15230 130.1
[M+NH4]+ 148.19340 151.1
[M+K]+ 169.12274 129.8
[M+H-H2O]+ 113.15684 126.7
[M+HCOO]- 175.15778 151.9
[M+CH3COO]- 189.17343 174.9
[M+Na-2H]- 151.13425 138.0
[M]+ 130.15903 129.2
[M]- 130.16013 129.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe